Maximum filling principle and sublattice characteristics for the atoms of period 6 elements

Maximum filling principle and sublattice characteristics for the atoms of period 6 elements
Serezhkin, V.; Pushkin, D.; Serezhkina, L.
2006-11-06 00:00:00
The most important characteristics of the Voronoi-Dirichlet polyhedra (VDP) were determined for the 88223 crystallographically different A atoms (A = Cs, Ba, La, Hf, Ta, W, Re, Os, Ir, Pt, Au, Hg, Tl, Pb, or Bi) in sublattices containing chemically identical atoms in the crystal structures of 52370 inorganic and organoelement compounds. Irrespective of the nature of the A element, the VDP have most often 14 faces, the Fedorov cuboctahedron being the most abundant VDP type. The metal atoms A were found to have, most often, C
1 site symmetry (76% of cases) and also C
s
, C
2, C
i
, and C
2v
site symmetries (7 to 2%). Certain relationships were shown to exist between the nature of the metal atom and the preferred symmetry of the sites it occupies in the crystal structures.
http://www.deepdyve.com/assets/images/DeepDyve-Logo-lg.pngRussian Journal of Coordination ChemistrySpringer Journalshttp://www.deepdyve.com/lp/springer-journals/maximum-filling-principle-and-sublattice-characteristics-for-the-atoms-B8EJ7bNSEy

Maximum filling principle and sublattice characteristics for the atoms of period 6 elements